Crystallography Open Database
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Searching space group like 'P 4/n n c :2'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1512839 | CIF | C48 H52 Dy Mo12 N8 O50 P | P 4/n n c :2 | 16.92; 16.92; 28.283 90; 90; 90 | 8097 | Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta, 2013, 394, 770-775 |
| 1512840 | CIF | C48 H52 Mo12 N8 O50 P Tb | P 4/n n c :2 | 16.858; 16.858; 28.341 90; 90; 90 | 8054 | Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta, 2013, 394, 770-775 |
| 1512841 | CIF | C48 H52 Er Mo12 N8 O50 P | P 4/n n c :2 | 16.876; 16.876; 28.208 90; 90; 90 | 8034 | Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta, 2013, 394, 770-775 |
| 1512842 | CIF | C48 H52 Ho Mo12 N8 O50 P | P 4/n n c :2 | 16.899; 16.899; 28.339 90; 90; 90 | 8093 | Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta, 2013, 394, 770-775 |
| 1520898 | CIF | Fe O2.8 Pr0.1 Sr0.9 | P 4/n n c :2 | 10.9012; 10.9012; 7.6792 90; 90; 90 | 912.567 | Brinks, H.W.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C. Structure and magnetism of Pr1-x Srx Fe O3-d Journal of Solid State Chemistry, 2000, 150, 233-249 |
| 1534733 | CIF | Al8.56 B1.31 Ca19 Fe0.98 H5.8 Mg3.72 O78 Si18 Ti0.28 | P 4/n n c :2 | 15.656; 15.656; 11.756 90; 90; 90 | 2881.52 | Groat, L.A.; Hawthorne, F.C.; Ercit, T.S. The incorporation of boron into the vesuvianite structure Canadian Mineralogist, 1994, 32, 505-523 |
| 1534736 | CIF | Al7.2 B1.03 Ca19 Fe2.13 H7.3 Mg3.92 O78 Si18 Ti0.32 | P 4/n n c :2 | 15.71; 15.71; 11.719 90; 90; 90 | 2892.3 | Groat, L.A.; Ercit, T.S.; Hawthorne, F.C. The incorporation of boron into the vesuvianite structure Canadian Mineralogist, 1994, 32, 505-523 |
| 1534740 | CIF | Al6.64 B2.39 Ca19 Fe2.7 H4 Mg3.6 O78 Si18 Ti0.36 | P 4/n n c :2 | 15.745; 15.745; 11.728 90; 90; 90 | 2907.43 | Groat, L.A.; Ercit, T.S.; Hawthorne, F.C. The incorporation of boron into the of vesuvianite structure Canadian Mineralogist, 1994, 32, 505-523 |
| 1541679 | CIF | Al9.2 Ca19 Fe2.5 H6.2 Mg1.7 Mn0.2 O78 Si18 Ti0.4 | P 4/n n c :2 | 15.565; 15.565; 11.816 90; 90; 90 | 2862.65 | Coda, A.; della Giusta, A.; Isetti, G.; Mazzi, F. On the crystal structure of vesuvianite Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali, 1971, 105, 63-84 |
| 1541733 | CIF | Al10 Ca19 Fe2 H8 Mg O78 Si18 | P 4/n n c :2 | 15.516; 15.516; 11.769 90; 90; 90 | 2833.34 | Rucklidge, J.C.; Kocman, V.; Whitlow, S.H.; Gabe, E.J. The crystal structures of three canadian vesuvianites Canadian Mineralogist, 1975, 13, 15-21 |
| 1556972 | CIF | Al7.94 Bi1.08 Ca16.74 Ce0.07 Cu0.1 Fe2.02 H7.55 Mg1.88 Mn0.47 O78 Pb0.11 Si17.84 Ti0.84 | P 4/n n c :2 | 15.7018; 15.7018; 11.8648 90; 90; 90 | 2925.2 | Halenius, U.; Bosi, F.; Gatedal, K. Crystal structure and chemistry of skarn-associated bismuthian vesuvianite American Mineralogist, 2013, 98, 566-573 |
| 1570688 | CIF | C4 N2 O | P 4/n n c :2 | 2.37513; 2.37513; 2.16441 90; 90; 90 | 12.21 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 2003573 | CIF Paper | C64 H32 Er N16 | P 4/n n c :2 | 19.907; 19.907; 6.43 90; 90; 90 | 2548 | Ostendorp, G.; Werner, J.-P.; Homborg, H. Bis(phthalocyaninato)erbium (α1 Phase) Acta Crystallographica Section C, 1995, 51, 1125-1128 |
| 2015992 | CIF HKL Paper | C28 H36 Cl2 Cu N4 | P 4/n n c :2 | 11.3324; 11.3324; 10.894 90; 90; 90 | 1399 | Martone, Daniel P.; Maverick, Andrew W.; Fronczek, Frank R. <i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II) Acta Crystallographica Section C, 2007, 63, m238-m239 |
| 2107993 | CIF HKL Paper | Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 | P 4/n n c :2 | 15.5326; 15.5326; 11.804 90; 90; 90 | 2847.85 | Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I. Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan Acta Crystallographica Section B, 2016, 72, 744-752 |
| 2201971 | CIF HKL Paper | Ce0.1133 H4 Na0.66 O5 P | P 4/n n c :2 | 10.187; 10.187; 15.497 90; 90; 90 | 1608.2 | Ben Zarkouna, Emna; Zid, Mohamed Faouzi; Driss, Ahmed Na~0.6601~Ce~0.1133~(H~2~PO~4~)·H~2~O Acta Crystallographica Section E, 2003, 59, i92-i94 |
| 2205743 | CIF HKL Paper | C28 H36 Cl2 N4 Ni | P 4/n n c :2 | 11.583; 11.583; 10.747 90; 90; 90 | 1441.9 | Xiang-Sheng Xu; Ya-Ping Lü; Dong-Shun Deng; Mao-Lin Hu; Zhi-Min Jin Tetrakis(3,5-lutidine)dichloronickel(II) Acta Crystallographica Section E, 2005, 61, m889-m891 |
| 4077792 | CIF | C194 H120 Cl4 Cu12 Pt6 | P 4/n n c :2 | 16.1431; 16.1431; 32.538 90; 90; 90 | 8479.4 | Charmant, Jonathan P. H.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Merino, Rosa I.; Moreno, M. Teresa; Orpen, A. Guy Unprecedented Pt−Pt Bonded Trimer {[Pt2Cu4(C⋮CPh)8]}3Showing Unusual Near-Infrared Luminescence Organometallics, 1999, 18, 3353 |
| 4108559 | CIF | C60 H100 Cl2 O8 Pt10 S40 | P 4/n n c :2 | 13.971; 13.971; 28.774 90; 90; 90 | 5616.4 | Minoru Mitsumi; Hidekazu Ueda; Kazumi Furukawa; Yoshiki Ozawa; Koshiro Toriumi; Mohamedally Kurmoo Constructing Highly Conducting Metal-Metal Bonded Solids by Electrocrystallization of [PtII2(RCS2)4] (RCS2-= Dithiocarboxylato, R = Methyl or Ethyl) Journal of the American Chemical Society, 2008, 130, 14102-14104 |
| 4112487 | CIF | C176 H178 N24 O98 Tm14 | P 4/n n c :2 | 19.322; 19.322; 33.829 90; 90; 90 | 12630 | Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters Journal of the American Chemical Society, 2004, 126, 5213-5218 |
| 4113066 | CIF | C66 H100 O40 Pr3.75 S6 | P 4/n n c :2 | 30.052; 30.052; 42.551 90; 90; 90 | 38429 | Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb Toward Mimicking Viral Geometry with Metal-Organic Systems Journal of the American Chemical Society, 2004, 126, 13170-13171 |
| 4115010 | CIF | C30 H52 Cl5 Mo2 N12 | P 4/n n c :2 | 13.6912; 13.6912; 20.4755 90; 90; 90 | 3838.1 | F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds Journal of the American Chemical Society, 2002, 124, 9249-9256 |
| 4116804 | CIF | C60 H60 Cl N8 O4 Rh2 | P 4/n n c :2 | 14.3327; 14.3327; 14.371 90; 90; 90 | 2952.2 | Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study Journal of the American Chemical Society, 1998, 120, 8136-8142 |
| 4116919 | CIF | C28 H48 Cl2 N12 Pd2 | P 4/n n c :2 | 10.502; 10.502; 14.5 90; 90; 90 | 1599.2 | F. Albert Cotton; Jiande Gu; Carlos A. Murillo; Daren J. Timmons The First Dinuclear Complex of Palladium(III) Journal of the American Chemical Society, 1998, 120, 13280-13281 |
| 4122084 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.7952; 13.7952; 15.095 90; 90; 90 | 2872.7 | Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society, 2014, 136, 9580-9589 |
| 4122085 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.6662; 13.6662; 15.052 90; 90; 90 | 2811.2 | Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society, 2014, 136, 9580-9589 |
| 4122086 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.7952; 13.7952; 15.095 90; 90; 90 | 2872.7 | Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society, 2014, 136, 9580-9589 |
| 4122087 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.8927; 13.8927; 15.0744 90; 90; 90 | 2909.5 | Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society, 2014, 136, 9580-9589 |
| 4130345 | CIF | C384 H264 Cl2 F132 Fe8 N48 O32 P14 | P 4/n n c :2 | 28.314; 28.314; 35.3911 90; 90; 90 | 28372 | Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R. Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms. Journal of the American Chemical Society, 2016, 138, 6813-6821 |
| 4133029 | CIF | C592 H656 N52 O26 Zn6 | P 4/n n c :2 | 40.05; 40.05; 37.745 90; 90; 90 | 60543 | Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies. Journal of the American Chemical Society, 2018, 140, 14547-14551 |
| 4135123 | CIF | C153 H94 Cu2 N4 O42 | P 4/n n c :2 | 32.9819; 32.9819; 9.9569 90; 90; 90 | 10831.2 | Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks. Journal of the American Chemical Society, 2020 |
| 4308792 | CIF | C88 H56 N8 O3 Ru2 | P 4/n n c :2 | 13.23343; 13.23343; 19.42737 90; 90; 90 | 3402.19 | Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins Inorganic Chemistry, 2005, 44, 2039-2049 |
| 4310765 | CIF | C14 H20 Mo0.5 O2.5 | P 4/n n c :2 | 22.5679; 22.5679; 13.0099 90; 90; 90 | 6626.1 | Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square Inorganic Chemistry, 2004, 43, 2114-2124 |
| 4314275 | CIF | C16 H14 B Cu3 F4 N2 O5 | P 4/n n c :2 | 13.6036; 13.6036; 20.5614 90; 90; 90 | 3805.1 | Xi-Sen Wang; Hong Zhao; Zhi-Rong Qu; Qiong Ye; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You; Hoong-Kun Fun An Unprecedented 8-Fold Interpenetrating Diamondoid-like Coordination Polymer Containing a Cu+4(RCO2)4 Cluster as Connecting Node Inorganic Chemistry, 2003, 42, 5786-5788 |
| 4322922 | CIF | C88 H56 F6 N8 O2 P Ru2 | P 4/n n c :2 | 18.5148; 18.5148; 26.441 90; 90; 90 | 9063.9 | James P. Collman; Steven T. Harford Structural and Spectroscopic Characterization of a Metal-Metal Bonded Ruthenium Porphyrin Dimer Cation Inorganic Chemistry, 1998, 37, 4152-4153 |
| 4323514 | CIF | K8 Tl10 Zn | P 4/n n c :2 | 10.319; 10.319; 13.859 90; 90; 90 | 1475.7 | Zhen-Chao Dong; Robert W. Henning; John D. Corbett K8Tl10Zn: A Zintl Phase Containing the Zinc-Centered Thallium Polyanion Tl10Zn8- Inorganic Chemistry, 1997, 36, 3559-3561 |
| 4323778 | CIF | C60 H60 F6 N8 P Pt2 | P 4/n n c :2 | 14.392; 14.392; 14.436 90; 90; 90 | 2990.1 | F. Albert Cotton; John H. Matonic; Carlos A. Murillo Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands Inorganic Chemistry, 1996, 35, 498-503 |
| 4330731 | CIF | C128 H0 Ag8 Pt4 | P 4/n n c :2 | 16.043; 16.043; 20.62 90; 90; 90 | 5307.1 | Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I Inorganic Chemistry, 2012, 51, 11117-11125 |
| 4335740 | CIF | C34 H54 Cl2 N2 O2 Ti | P 4/n n c :2 | 24.7045; 24.7045; 30.7712 90; 90; 90 | 18780 | Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes Inorganic Chemistry, 2013, 52, 9427-9439 |
| 4337067 | CIF | C56 H40 Cd Cl2 N12 Zn2 | P 4/n n c :2 | 20.0126; 20.0126; 10.3775 90; 90; 90 | 4156.23 | Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks Inorganic Chemistry, 2013, 52, 14439-14448 |
| 4340785 | CIF | C72 H84 N12 O16 P4 Zn4 | P 4/n n c :2 | 17.9799; 17.9799; 30.999 90; 90; 90 | 10021.3 | Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions. Inorganic chemistry, 2014, 53, 8959-8969 |
| 4343238 | CIF | C88 H100 F4 N16 O96 P2 W24 Zn3 | P 4/n n c :2 | 19.4643; 19.4643; 25.534 90; 90; 90 | 9673.8 | Liao, Jian-Zhen; Zhang, Hai-Long; Wang, Sa-Sa; Yong, Jian-Ping; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong Multifunctional radical-doped polyoxometalate-based host-guest material: photochromism and photocatalytic activity. Inorganic chemistry, 2015, 54, 4345-4350 |
| 4346181 | CIF | C97.5 H124.25 Cu4 N6.75 O20 | P 4/n n c :2 | 25.5002; 25.5002; 17.3192 90; 90; 90 | 11262 | Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W. Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares. Inorganic chemistry, 2015, 54, 7791-7802 |
| 4346272 | CIF | C96 H216 Cu20 P8 S10 | P 4/n n c :2 | 23.2385; 23.2385; 12.7837 90; 90; 90 | 6903.6 | Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study. Inorganic chemistry, 2015, 54, 9413-9422 |
| 4347837 | CIF | C66 H32 Mn2 N18 O | P 4/n n c :2 | 13.7022; 13.7022; 13.5358 90; 90; 90 | 2541.4 | Ikeda, Mitsuo; Murakawa, Hiroshi; Matsuda, Masaki; Hanasaki, Noriaki Phthalocyanine-Based Single-Component Molecular Conductor [Mn(III)(Pc)(CN)]2O. Inorganic chemistry, 2016, 55, 7314-7316 |
| 4349310 | CIF | C140 H196 Mn29 N30 O80 | P 4/n n c :2 | 21.956; 21.956; 23.591 90; 90; 90 | 11372 | Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C. "Molecular Nanoclusters": A 2-nm-Sized {Mn<sub>29</sub>} Cluster with a Spherical Structure. Inorganic chemistry, 2016, 55, 12118-12121 |
| 4503690 | CIF | C10 H16 N8 O5 Zn2 | P 4/n n c :2 | 12.7035; 12.7035; 25.438 90; 90; 90 | 4105.2 | Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks Crystal Growth & Design, 2008, 8, 3673 |
| 4504506 | CIF | C56 H72 O10 | P 4/n n c :2 | 15.511; 15.511; 22.398 90; 90; 90 | 5388.8 | Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R. Inclusion of Terpenes bypara-Acyl Calix[4]arenes Crystal Growth & Design, 2006, 6, 132 |
| 4504507 | CIF | C52 H72 O9 | P 4/n n c :2 | 15.433; 15.433; 22.654 90; 90; 90 | 5395.7 | Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R. Inclusion of Terpenes bypara-Acyl Calix[4]arenes Crystal Growth & Design, 2006, 6, 132 |
| 4508867 | CIF | C58 H76 O9.5 | P 4/n n c :2 | 15.4735; 15.4735; 22.604 90; 90; 90 | 5412.1 | Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W. Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes Crystal Growth & Design, 2006, 6, 2141 |
| 4508869 | CIF | C56 H71 Br Cl F3 O9 | P 4/n n c :2 | 15.4867; 15.4867; 22.675 90; 90; 90 | 5438.3 | Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W. Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes Crystal Growth & Design, 2006, 6, 2141 |
| 4515350 | CIF | C22.62 H16 Cu F6 N8 O5.25 Si | P 4/n n c :2 | 13.075; 13.075; 8.3362 90; 90; 90 | 1425.12 | Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity. ACS applied materials & interfaces, 2018, 10, 16628-16635 |
| 7012755 | CIF | C4 H30 Mo8 N O30.5 S4 | P 4/n n c :2 | 14.864; 14.864; 21.4507 90; 90; 90 | 4739.3 | Zhan, Xiao-Ping; Lu, Can-Zhong; Yang, Wen-Bin; Ma, Hong-Wei; Wu, Chuan-De; Zhang, Quan-Zheng [Mo8S4O12(OH)8(C2O4)]: a novel polyoxothiomolybdate ring synthesized via a hydrothermal method Dalton Transactions, 2003, 1457 |
| 7020986 | CIF | C408 H700 Cd30 N60 O194 | P 4/n n c :2 | 28.355; 28.355; 33.188 90; 90; 90 | 26683.4 | Gong, Wei-Jie; Liu, Ying-Ying; Yang, Jin; Wu, Hua; Ma, Jian-Fang; Xie, Teng-Feng An unprecedented octahedral {Cd30} nanocage supported by twelve pendant-armed tetraacetate macrocyclic ligands Dalton Transactions, 2013, 42, 3304 |
| 7021897 | CIF | C12 H10 N8 O4 Zn2 | P 4/n n c :2 | 12.6724; 12.6724; 25.2868 90; 90; 90 | 4060.8 | Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes. Dalton transactions (Cambridge, England : 2003), 2013, 42, 13802-13805 |
| 7027611 | CIF | C148 H192 Cl8 N16 O24 Pd8 | P 4/n n c :2 | 22.0685; 22.0685; 17.4908 90; 90; 90 | 8518.3 | Colquhoun, Howard M.; Fairman, Richard A.; Tootell, Paula; Williams, David J. An octanuclear pyromellitimidato(2−) palladium complex: coordinative assembly of a molecular box Journal of the Chemical Society, Dalton Transactions, 1999, 2651 |
| 7101703 | CIF | C60 H80 O8 | P 4/n n c :2 | 15.4022; 15.4022; 22.825 90; 90; 90 | 5414.7 | Ananchenko, Gennady S; Udachin, Konstantin A; Pojarova, Michaela; Jebors, Said; Coleman, Anthony W; Ripmeester, John A A molecular turnstile in para-octanoyl calix[4]arene nanocapsules. Chemical communications (Cambridge, England), 2007, 707-709 |
| 7102806 | CIF | C14.63 H19.63 N0.13 O2.5 P0.13 | P 4/n n c :2 | 15.5336; 15.5336; 22.658 90; 90; 90 | 5467.2 | Ananchenko, Gennady S.; Udachin, Konstanin A.; Coleman, Anthony W.; Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Ripmeester, John A. Crystalline inclusion complex of a calixarene with a nitroxide Chemical Communications (Cambridge, United Kingdom), 2008, 223-225 |
| 7104934 | CIF | C108 F48 | P 4/n n c :2 | 15.183; 15.183; 15.9887 90; 90; 90 | 3685.77 | Troyanov, Sergey I; Tamm, Nadezhda B Cage connectivities of C88 (33) and C92 (82) fullerenes captured as trifluoromethyl derivatives, C88(CF3)18 and C92(CF3)16. Chemical communications (Cambridge, England), 2009, 6035-6037 |
| 7113320 | CIF | C64 H40 Cu2 N2 O8 | P 4/n n c :2 | 16.589; 16.589; 9.584 90; 90; 90 | 2637.5 | Yuichi Takasaki; Satoshi Takamizawa A preferable molecular crystal membrane for H2 gas separation Chem.Commun., 2014, 50, 5662 |
| 7114462 | CIF | C9.25 H10.75 N0.25 Nd0.25 O6.38 S | P 4/n n c :2 | 11.9026; 11.9026; 32.876 90; 90; 90 | 4657.6 | Dalgarno, Scott J.; Raston, Colin L. Capture of di-protonated [2.2.2]cryptand in the cavity of two p-sulfonated calixarenes as part of 2-D bi-layer lanthanide coordination polymers Chemical Communications, 2002, 2216 |
| 7116024 | CIF | C100 H152 Cu16 N40 O64 | P 4/n n c :2 | 21.974; 21.974; 16.49 90; 90; 90 | 7962 | Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel Chem.Commun., 2014, 50, 15002 |
| 7125372 | CIF | C36 H43 N8 O8 P2 Zn2 | P 4/n n c :2 | 18.2767; 18.2767; 30.7812 90; 90; 90 | 10282.1 | Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes. Chemical communications (Cambridge, England), 2019, 55, 7994-7997 |
| 7125525 | CIF | C14 H20 Mo0.5 O2.5 | P 4/n n c :2 | 22.5679; 22.5679; 13.0099 90; 90; 90 | 6626.1 | Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G. Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol Chemical Communications, 2001, 2686 |
| 7131768 | CIF | C33 H38.5 Be2 O2.25 | P 4/n n c :2 | 17.323; 17.323; 18.354 90; 90; 90 | 5507.8 | Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger Dibenzoberylloles: antiaromatic s-block fluorene analogues Chemical Communications, 2023 |
| 7154208 | CIF | C113 H99 N9 O10 | P 4/n n c :2 | 19.221; 19.221; 26.996 90; 90; 90 | 9974 | Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state. Organic & biomolecular chemistry, 2015, 13, 1647-1653 |
| 7202061 | CIF | C115.76 H152.28 N O18.88 | P 4/n n c :2 | 15.5514; 15.5514; 22.5951 90; 90; 90 | 5464.5 | Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Schnegg, Alexander; Möbius, Klaus; Coleman, Anthony W.; Ananchenko, Gennady S.; Udachin, Konstantin A.; Ripmeester, John A. Inclusion of 4-methoxy-2,2,6,6-tetramethylpiperidine-N-oxyl in a calixarene nanocapsule in the solid state Physical Chemistry Chemical Physics, 2008, 10, 5299-5307 |
| 7206016 | CIF | C210 H330 Cl2 Dy14 N24 O143 S16 | P 4/n n c :2 | 20.0609; 20.0609; 37.6855 90; 90; 90 | 15166.1 | Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate CrystEngComm, 2011, 13, 3345 |
| 7206017 | CIF | C127 H222 Cl2 Dy12 N16 O113 | P 4/n n c :2 | 21.7073; 21.7073; 22.5476 90; 90; 90 | 10624.6 | Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate CrystEngComm, 2011, 13, 3345 |
| 7209280 | CIF | C6 H5 N4 O2 Zn | P 4/n n c :2 | 12.6672; 12.6672; 25.4399 90; 90; 90 | 4082 | Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2 CrystEngComm, 2013, 15, 2057 |
| 7209281 | CIF | C6 H5 Co N4 O2 | P 4/n n c :2 | 12.5845; 12.5845; 25.4464 90; 90; 90 | 4029.9 | Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2 CrystEngComm, 2013, 15, 2057 |
| 7209586 | CIF | C12 H10 N8 O5 Zn2 | P 4/n n c :2 | 12.7; 12.7; 25.364 90; 90; 90 | 4091 | Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions CrystEngComm, 2013, 15, 3261 |
| 7210296 | CIF | C7 H8 O6.5 P Zn | P 4/n n c :2 | 23.986; 23.986; 10.481 90; 90; 90 | 6030 | Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies CrystEngComm, 2013, 15, 7056 |
| 7220436 | CIF | C46.5 H62 O4.5 | P 4/n n c :2 | 12.8494; 12.8494; 25.11 90; 90; 90 | 4145.8 | Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals CrystEngComm, 2015, 17, 4799 |
| 7243585 | CIF | C64 H32 N16 Nd | P 4/n n c :2 | 19.937; 19.937; 6.4202 90; 90; 90 | 2551.9 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243588 | CIF | C64 H32 La N16 | P 4/n n c :2 | 19.9227; 19.9227; 6.3925 90; 90; 90 | 2537.27 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243597 | CIF | C64 H32 Dy N16 | P 4/n n c :2 | 19.548; 19.548; 6.477 90; 90; 90 | 2475 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7245670 | CIF | C82 H142 O44 S8 Tb9 | P 4/n n c :2 | 13.3479; 13.3479; 46.0809 90; 90; 90 | 8210.1 | Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters RSC Advances, 2022, 12, 29151-29161 |
| 7245672 | CIF | C82 H144 Gd9 O44 S8 | P 4/n n c :2 | 13.3613; 13.3613; 46.1864 90; 90; 90 | 8245.4 | Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters RSC Advances, 2022, 12, 29151-29161 |
| 7245673 | CIF | C82 H142 Dy9 O44 S8 | P 4/n n c :2 | 13.2526; 13.2526; 46.0114 90; 90; 90 | 8081 | Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters RSC Advances, 2022, 12, 29151-29161 |
| 7707585 | CIF | C66 H72 Ag N4 O12 Ru4 | P 4/n n c :2 | 18.1524; 18.1524; 21.1288 90; 90; 90 | 6962.1 | Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>. Dalton transactions (Cambridge, England : 2003), 2021, 50, 9610-9622 |
| 7708319 | CIF | C416 H384 F36 N48 O103 Pd6 S16 | P 4/n n c :2 | 31.691; 31.691; 31.686 90; 90; 90 | 31823 | Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions Dalton Transactions, 2021 |
| 9001022 | CIF | Al5.425 Ca9.14 Cu0.355 F0.533 Fe0.145 H4.25 Mg0.28 Mn0.34 O38.25 Si8.755 Zn0.484 | P 4/n n c :2 | 15.532; 15.532; 11.776 90; 90; 90 | 2840.88 | Fitzgerald, S.; Rheingold, A. L.; Leavens, P. B. Crystal structure of Cu-bearing vesuvianite American Mineralogist, 1986, 71, 1011-1014 |
| 9001499 | CIF | Al5.44 Ca9.5 Cu0.26 F2.7 H2.3 Mg0.8 O36.3 Si9 | P 4/n n c :2 | 15.517; 15.517; 11.781 90; 90; 90 | 2836.6 | Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #1 from Sauland American Mineralogist, 1992, 77, 945-953 |
| 9001500 | CIF | Al5.24 Ca9.5 F Fe1.26 H4 O38 Si9 | P 4/n n c :2 | 15.606; 15.606; 11.825 90; 90; 90 | 2879.95 | Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #2 from Sanpo American Mineralogist, 1992, 77, 945-953 |
| 9001501 | CIF | Al5.48 Ca9.5 F3.07 Fe1.02 H1.93 O35.93 Si9 | P 4/n n c :2 | 15.583; 15.583; 11.801 90; 90; 90 | 2865.64 | Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #3 from Jinmu American Mineralogist, 1992, 77, 945-953 |
| 9001502 | CIF | Al5.88 Ca9.5 Fe0.36 H5 Mg0.26 O39 Si9 | P 4/n n c :2 | 15.546; 15.546; 11.828 90; 90; 90 | 2858.57 | Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #4 from Chichibu American Mineralogist, 1992, 77, 945-953 |
| 9004081 | CIF | Al5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 Si9 | P 4/n n c :2 | 15.516; 15.516; 11.769 90; 90; 90 | 2833.34 | Rucklidge J C; Kocman V; Whitlow S H; Gabe E J The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake The Canadian Mineralogist, 1975, 13, 15-21 |
| 9004082 | CIF | Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 | P 4/n n c :2 | 15.558; 15.558; 11.81 90; 90; 90 | 2858.63 | Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J. The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft The Canadian Mineralogist, 1975, 13, 15-21 |
| 9004083 | CIF | Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 | P 4/n n c :2 | 15.543; 15.543; 11.7905 90; 90; 90 | 2848.41 | Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J. The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield The Canadian Mineralogist, 1975, 13, 15-21 |
| 9004256 | CIF | Al5.67 Ca10 Fe0.63 H4 Mg0.56 O39 Si9 Ti0.14 | P 4/n n c :2 | 15.522; 15.522; 11.802 90; 90; 90 | 2843.49 | Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V12 The Canadian Mineralogist, 1992, 30, 1065-1075 |
| 9004257 | CIF | Al5.84 Ca9.9 Cl0.08 F1.12 Fe0.72 H2.8 Mg0.8 Na0.1 O38.8 Si9 Ti0.64 | P 4/n n c :2 | 15.558; 15.558; 11.805 90; 90; 90 | 2857.42 | Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V27 The Canadian Mineralogist, 1992, 30, 1065-1075 |
| 9004258 | CIF | Al6 Ca10 F1.64 Fe1.04 H2.36 Mg0.72 Mn0.08 O38.36 Si9 Ti0.16 | P 4/n n c :2 | 15.563; 15.563; 11.806 90; 90; 90 | 2859.5 | Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V4 The Canadian Mineralogist, 1992, 30, 1065-1075 |
| 9004259 | CIF | Al6 Ca10 F1.88 Fe0.88 H2.12 Mg0.8 Mn0.16 O38.12 Si9 Ti0.16 | P 4/n n c :2 | 15.538; 15.538; 11.786 90; 90; 90 | 2845.49 | Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V33 The Canadian Mineralogist, 1992, 30, 1065-1075 |
| 9004442 | CIF | Al11.04 B2.72 Ca19 Fe2.68 O78.8 Si18 | P 4/n n c :2 | 15.736; 15.736; 11.72 90; 90; 90 | 2902.13 | Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S. X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: X-ray data, 298 K The Canadian Mineralogist, 1996, 34, 1059-1070 |
| 9004443 | CIF | Al11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18 | P 4/n n c :2 | 15.725; 15.725; 11.716 90; 90; 90 | 2897.08 | Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S. X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: neutron data, 15 K The Canadian Mineralogist, 1996, 34, 1059-1070 |
| 9004529 | CIF | Al4.36 Ca10 F0.72 Fe0.89 H5 Mg1.67 O38.28 Si9 Ti0.08 | P 4/n n c :2 | 15.533; 15.533; 11.785 90; 90; 90 | 2843.42 | Lager, G. A.; Xie, Q.; Ross, F. K.; Rossman, G. R.; Armbruster, T.; Rotella, F. J.; Schultz, A. J. Hydrogen-atom positions in P4/nnc vesuvianite The Canadian Mineralogist, 1999, 37, 763-768 |
| 9004737 | CIF | Cu H24 O24 P2 U2 | P 4/n n c :2 | 7.0267; 7.0267; 20.807 90; 90; 90 | 1027.33 | Locock, A. J.; Burns, P. C. Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite The Canadian Mineralogist, 2003, 41, 489-502 |
| 9004738 | CIF | As2 Cu H24 O24 U2 | P 4/n n c :2 | 7.1797; 7.1797; 20.857 90; 90; 90 | 1075.14 | Locock, A. J.; Burns, P. C. Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite The Canadian Mineralogist, 2003, 41, 489-502 |
| 9004768 | CIF | Al5.032 Ca9.46 Cl0.216 F1.44 Fe0.664 H2.844 Mg0.62 Na0.04 O37.344 Si8.955 Ti0.216 | P 4/n n c :2 | 15.536; 15.536; 11.781 90; 90; 90 | 2843.55 | Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M. Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES1 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia The Canadian Mineralogist, 2003, 41, 843-856 |
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